6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine

C15H16N6O — CID 71991008

IUPAC6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine
SMILESCOc1ccc(NC(C)c2nnnn2-c2ccccc2)cn1
InChIInChI=1S/C15H16N6O/c1-11(17-12-8-9-14(22-2)16-10-12)15-18-19-20-21(15)13-6-4-3-5-7-13/h3-11,17H,1-2H3
InChIKeyVNIZGENAZSHOIX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.24
Rot. Bonds5

About 6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine

6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine (PubChem CID 71991008) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine
PubChem CID71991008
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine
SMILESCOc1ccc(NC(C)c2nnnn2-c2ccccc2)cn1
InChIInChI=1S/C15H16N6O/c1-11(17-12-8-9-14(22-2)16-10-12)15-18-19-20-21(15)13-6-4-3-5-7-13/h3-11,17H,1-2H3
InChIKeyVNIZGENAZSHOIX-UHFFFAOYSA-N
XLogP2.24
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
6-(1H-imidazol-1-yl)-N-(3-methoxyphenyl)-3-pyridazinamine
CID 2982509
4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 44578538
4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839997
n3-(2-Methoxy-phenyl)-1-pyridin-2-yl-1h-[1,2,4]triazole-3,5-diamine
CID 56595687
N-(1H-imidazol-5-ylmethyl)-6-methoxy-N-propan-2-ylpyridin-2-amine
CID 59728103
trans-(1R,3R)-3-N-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]cyclopentane-1,3-diamine
CID 90389598
cis-(1S,3R)-3-N-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]cyclopentane-1,3-diamine
CID 90389836
3-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-yl]-pyridine
CID 649801
2-methoxy-5-(3-methyl-5-(4-phenoxypiperidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 46225023
4-[3-[(6-Methoxy-3-pyridinyl)amino]-2-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 60155087
trans-(1S,3S)-3-N-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]cyclopentane-1,3-diamine
CID 90389596

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine (CID 71991008) is 6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine is COc1ccc(NC(C)c2nnnn2-c2ccccc2)cn1.
What is the InChIKey of 6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine?
The InChIKey is VNIZGENAZSHOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-11(17-12-8-9-14(22-2)16-10-12)15-18-19-20-21(15)13-6-4-3-5-7-13/h3-11,17H,1-2H3.
What are the key properties of 6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine?
6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine has a molecular weight of 296.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 71991008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).